期刊
CHEMICAL PHYSICS LETTERS
卷 405, 期 1-3, 页码 90-92出版社
ELSEVIER
DOI: 10.1016/j.cplett.2005.01.122
关键词
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By using density functional theory calculations, it is found that the strongest interaction between NH3 and single-wall carbon nanotubes (SWNTs) is via its one H atom. The adsorption of NH3 on the metallic (7,7) SWNT turns out to be slightly stronger than that on the semiconducting (13, 0) SWNT. (c) 2005 Elsevier B.V. All rights reserved.
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